N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-hydroxy-4-methylbenzamide

C18H17N3O4S — CID 36540476

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-hydroxy-4-methylbenzamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-hydroxy-4-methylbenzamide (PubChem CID 36540476) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-hydroxy-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-hydroxy-4-methylbenzamide
• PubChem CID: 36540476
• Molecular Formula: C18H17N3O4S
• Molecular Weight: 371.42 g/mol
• Exact Mass: 371.09
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-hydroxy-4-methylbenzamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(C)cc3O)n2)o1
• InChI: InChI=1S/C18H17N3O4S/c1-10-3-5-13(15(23)7-10)17(24)21-18-20-14(9-26-18)16-6-4-12(25-16)8-19-11(2)22/h3-7,9,23H,8H2,1-2H3,(H,19,22)(H,20,21,24)
• InChIKey: VNSBFZNWVBAPSC-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 104.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.42
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-hydroxy-4-methylbenzamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-hydroxy-4-methylbenzamide (CID 36540476) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-hydroxy-4-methylbenzamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-hydroxy-4-methylbenzamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-hydroxy-4-methylbenzamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(C)cc3O)n2)o1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-hydroxy-4-methylbenzamide?

The InChIKey is VNSBFZNWVBAPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-10-3-5-13(15(23)7-10)17(24)21-18-20-14(9-26-18)16-6-4-12(25-16)8-19-11(2)22/h3-7,9,23H,8H2,1-2H3,(H,19,22)(H,20,21,24).

What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-hydroxy-4-methylbenzamide?

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-hydroxy-4-methylbenzamide has a molecular weight of 371.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 36540476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).